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3-bromanyl-N-(hexadecylcarbamothioyl)-4-(3-methylbutoxy)benzamide

3-bromanyl-N-(hexadecylcarbamothioyl)-4-(3-methylbutoxy)benzamide

Systemtic Name:3-bromanyl-N-(hexadecylcarbamothioyl)-4-(3-methylbutoxy)benzamide
Openeye Name:3-bromo-N-(hexadecylcarbamothioyl)-4-isopentyloxy-benzamide
CAS Name:3-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide
IUPAC Name:3-bromo-N-(hexadecylcarbamothioyl)-4-(3-methylbutoxy)benzamide
Traditional Name:3-bromo-N-(cetylthiocarbamoyl)-4-isoamoxy-benzamide
Formula: C29H49BrN2O2S
MolecularWeight: 569.68056
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC(C)C)Br


Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC(C)C)Br


InChI

InChI=1S/C29H49BrN2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-29(35)32-28(33)25-18-19-27(26(30)23-25)34-22-20-24(2)3/h18-19,23-24H,4-17,20-22H2,1-3H3,(H2,31,32,33,35)


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